CID 134439667

3-methoxy-2-azabicyclo[2.2.1]hept-2-ene

Structural Information

Molecular Formula
C7H11NO
SMILES
COC1=NC2CCC1C2
InChI
InChI=1S/C7H11NO/c1-9-7-5-2-3-6(4-5)8-7/h5-6H,2-4H2,1H3
InChIKey
BRNQXPAZUVWPHJ-UHFFFAOYSA-N
Compound name
3-methoxy-2-azabicyclo[2.2.1]hept-2-ene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

125.08406 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 126.09134 125.4
[M+Na]+ 148.07328 134.3
[M-H]- 124.07678 127.4
[M+NH4]+ 143.11788 151.8
[M+K]+ 164.04722 133.5
[M+H-H2O]+ 108.08132 120.6
[M+HCOO]- 170.08226 147.9
[M+CH3COO]- 184.09791 170.4
[M+Na-2H]- 146.05873 131.0
[M]+ 125.08351 126.3
[M]- 125.08461 126.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe